[2-(oxan-4-ylmethoxymethyl)phenyl]methanamine

C14H21NO2 — CID 62382964

IUPAC[2-(oxan-4-ylmethoxymethyl)phenyl]methanamine
SMILESNCc1ccccc1COCC1CCOCC1
InChIInChI=1S/C14H21NO2/c15-9-13-3-1-2-4-14(13)11-17-10-12-5-7-16-8-6-12/h1-4,12H,5-11,15H2
InChIKeyWHZTXFZIPBLMAV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.09
Rot. Bonds5

About [2-(oxan-4-ylmethoxymethyl)phenyl]methanamine

[2-(oxan-4-ylmethoxymethyl)phenyl]methanamine (PubChem CID 62382964) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-(oxan-4-ylmethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(oxan-4-ylmethoxymethyl)phenyl]methanamine
PubChem CID62382964
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[2-(oxan-4-ylmethoxymethyl)phenyl]methanamine
SMILESNCc1ccccc1COCC1CCOCC1
InChIInChI=1S/C14H21NO2/c15-9-13-3-1-2-4-14(13)11-17-10-12-5-7-16-8-6-12/h1-4,12H,5-11,15H2
InChIKeyWHZTXFZIPBLMAV-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine
CID 62383531
2-(oxan-4-ylmethoxymethyl)benzoic acid
CID 55134340
[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine
CID 55075400
4-(phenylmethoxymethyl)oxepane
CID 151980287
[3-(oxan-4-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62485117
2-(oxolan-3-ylmethoxymethyl)benzenecarbothioamide
CID 54977500
3-fluoro-4-(oxan-4-ylmethoxymethyl)benzenecarbothioamide
CID 62384281
8-(oxan-4-ylmethoxymethyl)quinolin-5-amine
CID 62383132
3-[(2-ethylphenyl)methoxymethyl]oxetane
CID 150275433
[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine
CID 107558808
3-[3-(oxan-4-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 62382842
4-[[2-(bromomethyl)phenoxy]methyl]oxane
CID 62387338

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylmethoxymethyl)phenyl]methanamine?
The IUPAC name of [2-(oxan-4-ylmethoxymethyl)phenyl]methanamine (CID 62382964) is [2-(oxan-4-ylmethoxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-(oxan-4-ylmethoxymethyl)phenyl]methanamine?
The canonical SMILES for [2-(oxan-4-ylmethoxymethyl)phenyl]methanamine is NCc1ccccc1COCC1CCOCC1.
What is the InChIKey of [2-(oxan-4-ylmethoxymethyl)phenyl]methanamine?
The InChIKey is WHZTXFZIPBLMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c15-9-13-3-1-2-4-14(13)11-17-10-12-5-7-16-8-6-12/h1-4,12H,5-11,15H2.
What are the key properties of [2-(oxan-4-ylmethoxymethyl)phenyl]methanamine?
[2-(oxan-4-ylmethoxymethyl)phenyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylmethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 62382964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).